Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 21   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 8 (Homo sapiens (Human))	BDBM65531 ((S)-N-(6-(hydroxyamino)-6-oxohexyl)-4-(3-(2-oxo-1-...) Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)Nc2cccc(c2)C(F)(F)F)c2ccccc2)cc1 Show InChI InChI=1S/C29H30F3N5O5/c30-29(31,32)21-10-7-11-23(18-21)34-27(40)25(19-8-3-1-4-9-19)36-28(41)35-22-15-13-20(14-16-22)26(39)33-17-6-2-5-12-24(38)37-42/h1,3-4,7-11,13-16,18,25,42H,2,5-6,12,17H2,(H,33,39)(H,34,40)(H,37,38)(H2,35,36,41)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	967	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM65541 ((S)-4-(3-(2-((4-fluorobenzyl)amino)-2-oxo-1-phenyl...) Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)NCc2ccc(F)cc2)c2ccccc2)cc1 Show InChI InChI=1S/C29H32FN5O5/c30-23-14-10-20(11-15-23)19-32-28(38)26(21-7-3-1-4-8-21)34-29(39)33-24-16-12-22(13-17-24)27(37)31-18-6-2-5-9-25(36)35-40/h1,3-4,7-8,10-17,26,40H,2,5-6,9,18-19H2,(H,31,37)(H,32,38)(H,35,36)(H2,33,34,39)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM65541 ((S)-4-(3-(2-((4-fluorobenzyl)amino)-2-oxo-1-phenyl...) Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)NCc2ccc(F)cc2)c2ccccc2)cc1 Show InChI InChI=1S/C29H32FN5O5/c30-23-14-10-20(11-15-23)19-32-28(38)26(21-7-3-1-4-8-21)34-29(39)33-24-16-12-22(13-17-24)27(37)31-18-6-2-5-9-25(36)35-40/h1,3-4,7-8,10-17,26,40H,2,5-6,9,18-19H2,(H,31,37)(H,32,38)(H,35,36)(H2,33,34,39)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM65537 ((S)-4-(3-(2-((3-chlorophenyl)amino)-2-oxo-1-phenyl...) Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)Nc2cccc(Cl)c2)c2ccccc2)cc1 Show InChI InChI=1S/C28H30ClN5O5/c29-21-10-7-11-23(18-21)31-27(37)25(19-8-3-1-4-9-19)33-28(38)32-22-15-13-20(14-16-22)26(36)30-17-6-2-5-12-24(35)34-39/h1,3-4,7-11,13-16,18,25,39H,2,5-6,12,17H2,(H,30,36)(H,31,37)(H,34,35)(H2,32,33,38)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM65535 ((S)-N-(6-(hydroxyamino)-6-oxohexyl)-4-(3-(2-((2-hy...) Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)Nc2ccccc2O)c2ccccc2)cc1 Show InChI InChI=1S/C28H31N5O6/c34-23-12-7-6-11-22(23)31-27(37)25(19-9-3-1-4-10-19)32-28(38)30-21-16-14-20(15-17-21)26(36)29-18-8-2-5-13-24(35)33-39/h1,3-4,6-7,9-12,14-17,25,34,39H,2,5,8,13,18H2,(H,29,36)(H,31,37)(H,33,35)(H2,30,32,38)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM65544 ((S)-N-(6-(hydroxyamino)-6-oxohexyl)-4-(3-(2-oxo-1-...) Show SMILES Cc1cccc(NC(=O)[C@@H](NC(=O)Nc2ccc(cc2)C(=O)NCCCCCC(=O)NO)c2ccccc2)c1 Show InChI InChI=1S/C29H33N5O5/c1-20-9-8-12-24(19-20)31-28(37)26(21-10-4-2-5-11-21)33-29(38)32-23-16-14-22(15-17-23)27(36)30-18-7-3-6-13-25(35)34-39/h2,4-5,8-12,14-17,19,26,39H,3,6-7,13,18H2,1H3,(H,30,36)(H,31,37)(H,34,35)(H2,32,33,38)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM65523 ((S)-4-(3-(2-((2-fluorophenyl)amino)-2-oxo-1-phenyl...) Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)Nc2ccccc2F)c2ccccc2)cc1 Show InChI InChI=1S/C28H30FN5O5/c29-22-11-6-7-12-23(22)32-27(37)25(19-9-3-1-4-10-19)33-28(38)31-21-16-14-20(15-17-21)26(36)30-18-8-2-5-13-24(35)34-39/h1,3-4,6-7,9-12,14-17,25,39H,2,5,8,13,18H2,(H,30,36)(H,32,37)(H,34,35)(H2,31,33,38)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM65529 ((S)-N-(6-(hydroxyamino)-6-oxohexyl)-4-(3-(2-oxo-1-...) Show SMILES Cc1ccccc1NC(=O)[C@@H](NC(=O)Nc1ccc(cc1)C(=O)NCCCCCC(=O)NO)c1ccccc1 Show InChI InChI=1S/C29H33N5O5/c1-20-10-7-8-13-24(20)32-28(37)26(21-11-4-2-5-12-21)33-29(38)31-23-17-15-22(16-18-23)27(36)30-19-9-3-6-14-25(35)34-39/h2,4-5,7-8,10-13,15-18,26,39H,3,6,9,14,19H2,1H3,(H,30,36)(H,32,37)(H,34,35)(H2,31,33,38)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 8 (Homo sapiens (Human))	BDBM65528 ((S)-4-(3-(2-(furan-2-ylamino)-2-oxo-1-phenylethyl)...) Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)Nc2ccco2)c2ccccc2)cc1 Show InChI InChI=1S/C26H29N5O6/c32-21(31-36)10-5-2-6-16-27-24(33)19-12-14-20(15-13-19)28-26(35)30-23(18-8-3-1-4-9-18)25(34)29-22-11-7-17-37-22/h1,3-4,7-9,11-15,17,23,36H,2,5-6,10,16H2,(H,27,33)(H,29,34)(H,31,32)(H2,28,30,35)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM65521 ((S)-4-(3-(2-(benzylamino)-2-oxo-1-phenylethyl)urei...) Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)NCc2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C29H33N5O5/c35-25(34-39)14-8-3-9-19-30-27(36)23-15-17-24(18-16-23)32-29(38)33-26(22-12-6-2-7-13-22)28(37)31-20-21-10-4-1-5-11-21/h1-2,4-7,10-13,15-18,26,39H,3,8-9,14,19-20H2,(H,30,36)(H,31,37)(H,34,35)(H2,32,33,38)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM65547 (phenylglycine containing lead compound (4h)) Show SMILES CC(C)(C)OC(=O)NC(C(=O)Nc1ccc(cc1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C20H23N3O5/c1-20(2,3)28-19(26)22-16(13-7-5-4-6-8-13)18(25)21-15-11-9-14(10-12-15)17(24)23-27/h4-12,16,27H,1-3H3,(H,21,25)(H,22,26)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM65539 ((S)-4-(3-(2-((3-fluoro-4-methoxyphenyl)amino)-2-ox...) Show SMILES COc1cc(NC(=O)[C@@H](NC(=O)Nc2ccc(cc2)C(=O)NCCCCCC(=O)NO)c2ccccc2)ccc1F Show InChI InChI=1S/C29H32FN5O6/c1-41-24-18-22(15-16-23(24)30)32-28(38)26(19-8-4-2-5-9-19)34-29(39)33-21-13-11-20(12-14-21)27(37)31-17-7-3-6-10-25(36)35-40/h2,4-5,8-9,11-16,18,26,40H,3,6-7,10,17H2,1H3,(H,31,37)(H,32,38)(H,35,36)(H2,33,34,39)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM65545 ((S)-4-(3-(2-((2,4-dichlorophenyl)amino)-2-oxo-1-ph...) Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2)cc1 Show InChI InChI=1S/C28H29Cl2N5O5/c29-20-12-15-23(22(30)17-20)33-27(38)25(18-7-3-1-4-8-18)34-28(39)32-21-13-10-19(11-14-21)26(37)31-16-6-2-5-9-24(36)35-40/h1,3-4,7-8,10-15,17,25,40H,2,5-6,9,16H2,(H,31,37)(H,33,38)(H,35,36)(H2,32,34,39)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM65538 ((S)-4-(3-(2-((3,5-dimethylphenyl)amino)-2-oxo-1-ph...) Show SMILES Cc1cc(C)cc(NC(=O)[C@@H](NC(=O)Nc2ccc(cc2)C(=O)NCCCCCC(=O)NO)c2ccccc2)c1 Show InChI InChI=1S/C30H35N5O5/c1-20-17-21(2)19-25(18-20)32-29(38)27(22-9-5-3-6-10-22)34-30(39)33-24-14-12-23(13-15-24)28(37)31-16-8-4-7-11-26(36)35-40/h3,5-6,9-10,12-15,17-19,27,40H,4,7-8,11,16H2,1-2H3,(H,31,37)(H,32,38)(H,35,36)(H2,33,34,39)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM65525 ((S)-4-(3-(2-((4-fluorophenyl)amino)-2-oxo-1-phenyl...) Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 Show InChI InChI=1S/C28H30FN5O5/c29-21-12-16-22(17-13-21)31-27(37)25(19-7-3-1-4-8-19)33-28(38)32-23-14-10-20(11-15-23)26(36)30-18-6-2-5-9-24(35)34-39/h1,3-4,7-8,10-17,25,39H,2,5-6,9,18H2,(H,30,36)(H,31,37)(H,34,35)(H2,32,33,38)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM65534 ((S)-N-(6-(hydroxyamino)-6-oxohexyl)-4-(3-(2-((2-me...) Show SMILES COc1ccccc1NC(=O)[C@@H](NC(=O)Nc1ccc(cc1)C(=O)NCCCCCC(=O)NO)c1ccccc1 Show InChI InChI=1S/C29H33N5O6/c1-40-24-13-8-7-12-23(24)32-28(37)26(20-10-4-2-5-11-20)33-29(38)31-22-17-15-21(16-18-22)27(36)30-19-9-3-6-14-25(35)34-39/h2,4-5,7-8,10-13,15-18,26,39H,3,6,9,14,19H2,1H3,(H,30,36)(H,32,37)(H,34,35)(H2,31,33,38)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM65530 ((S)-N-(6-(hydroxyamino)-6-oxohexyl)-4-(3-(2-(napht...) Show SMILES ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)Nc2ccc3ccccc3c2)c2ccccc2)cc1 Show InChI InChI=1S/C32H33N5O5/c38-28(37-42)13-5-2-8-20-33-30(39)24-15-17-26(18-16-24)35-32(41)36-29(23-10-3-1-4-11-23)31(40)34-27-19-14-22-9-6-7-12-25(22)21-27/h1,3-4,6-7,9-12,14-19,21,29,42H,2,5,8,13,20H2,(H,33,39)(H,34,40)(H,37,38)(H2,35,36,41)/t29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM65543 ((S)-4-(3-(2-((2,6-diisopropylphenyl)amino)-2-oxo-1...) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](NC(=O)Nc1ccc(cc1)C(=O)NCCCCCC(=O)NO)c1ccccc1 Show InChI InChI=1S/C34H43N5O5/c1-22(2)27-14-11-15-28(23(3)4)31(27)37-33(42)30(24-12-7-5-8-13-24)38-34(43)36-26-19-17-25(18-20-26)32(41)35-21-10-6-9-16-29(40)39-44/h5,7-8,11-15,17-20,22-23,30,44H,6,9-10,16,21H2,1-4H3,(H,35,41)(H,37,42)(H,39,40)(H2,36,38,43)/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM65532 ((S)-N-(6-(hydroxyamino)-6-oxohexyl)-4-(3-(2-oxo-1-...) Show SMILES Cc1ccc(NC(=O)[C@@H](NC(=O)Nc2ccc(cc2)C(=O)NCCCCCC(=O)NO)c2ccccc2)cc1 Show InChI InChI=1S/C29H33N5O5/c1-20-11-15-23(16-12-20)31-28(37)26(21-8-4-2-5-9-21)33-29(38)32-24-17-13-22(14-18-24)27(36)30-19-7-3-6-10-25(35)34-39/h2,4-5,8-9,11-18,26,39H,3,6-7,10,19H2,1H3,(H,30,36)(H,31,37)(H,34,35)(H2,32,33,38)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM65526 ((S)-4-(3-(2-((4-(tert-butyl)phenyl)amino)-2-oxo-1-...) Show SMILES CC(C)(C)c1ccc(NC(=O)[C@@H](NC(=O)Nc2ccc(cc2)C(=O)NCCCCCC(=O)NO)c2ccccc2)cc1 Show InChI InChI=1S/C32H39N5O5/c1-32(2,3)24-15-19-25(20-16-24)34-30(40)28(22-10-6-4-7-11-22)36-31(41)35-26-17-13-23(14-18-26)29(39)33-21-9-5-8-12-27(38)37-42/h4,6-7,10-11,13-20,28,42H,5,8-9,12,21H2,1-3H3,(H,33,39)(H,34,40)(H,37,38)(H2,35,36,41)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qingdao University					Assay Description The nucleus extract was extracted from HDAC8 enzyme was expressed in Escherichia coli. Boc-Lys (acetyl)-AMC was used as the substrate of HDAC. SAHA w...				J Enzyme Inhib Med Chem 29: 582-9 (2014) Article DOI: 10.3109/14756366.2013.827678 BindingDB Entry DOI: 10.7270/Q2S46Q3F
					More data for this Ligand-Target Pair